methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

C16H11Cl2NO3S — CID 1475828

IUPACmethyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO3S/c1-21-16(20)14-13(11-3-2-6-19-15(11)23-14)22-8-9-4-5-10(17)7-12(9)18/h2-7H,8H2,1H3
InChIKeyPKWUXPFYBUJIRO-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.97
Rot. Bonds4

About methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1475828) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1475828
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC Namemethyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO3S/c1-21-16(20)14-13(11-3-2-6-19-15(11)23-14)22-8-9-4-5-10(17)7-12(9)18/h2-7H,8H2,1H3
InChIKeyPKWUXPFYBUJIRO-UHFFFAOYSA-N
XLogP4.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate (CID 1475828) is methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is PKWUXPFYBUJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c1-21-16(20)14-13(11-3-2-6-19-15(11)23-14)22-8-9-4-5-10(17)7-12(9)18/h2-7H,8H2,1H3.
What are the key properties of methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 368.24 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1475828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).